SCHEMBL25608469

SCHEMBL25608469

C[C@]1(c2ccc3c(N)ncnn23)CC[C@@H](COC(=O)Cc2ccccc2)O1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 2/20 0.39
▸ TNK2 Q07912 2/20 0.33
▸ RIPK1 Q13546 6/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25608337 0.86 MGLL (0.38) MGLLTNK2RIPK1
SCHEMBL14052168 0.85 TNK2 (0.35) TNK2
SCHEMBL18666854 0.85 TNK2 (0.35) TNK2
SCHEMBL24789459 0.85 RIPK1 (0.33) RIPK1
SCHEMBL24790479 0.84 MIF (0.33) RIPK1
SCHEMBL24313297 0.80 RIPK1 (0.34) MGLLTNK2RIPK1
SCHEMBL23685890 0.79 TNK2 (0.31) TNK2RIPK1
SCHEMBL18666834 0.79 ACVRL1 (0.32) TNK2RIPK1
SCHEMBL807536 0.79 ACVRL1 (0.32) TNK2RIPK1
SCHEMBL23047661 0.79 ACVRL1 (0.32) TNK2RIPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023102472-A1 ANTIVIRAL PRODRUGS AND FORMULATIONS THEREOF THE SCRIPPS RESEARCH INSTITUTE (US) 2023-06-08 — — WO disclosed
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